ChemSpider 2D Image | N-(2-Methyl-5-{[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino}phenyl)-7H-pyrrolo[2,3-d]pyrimidine-7-carboxamide | C26H20F3N7O2

N-(2-Methyl-5-{[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino}phenyl)-7H-pyrrolo[2,3-d]pyrimidine-7-carboxamide

  • Molecular FormulaC26H20F3N7O2
  • Average mass519.478 Da
  • Monoisotopic mass519.163086 Da
  • ChemSpider ID9607238

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7H-Pyrrolo[2,3-d]pyrimidine-7-carboxamide, N-[2-methyl-5-[[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]- [ACD/Index Name]
N-(2-Methyl-5-{[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluormethyl)benzoyl]amino}phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-carboxamid [German] [ACD/IUPAC Name]
N-(2-Methyl-5-{[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino}phenyl)-7H-pyrrolo[2,3-d]pyrimidine-7-carboxamide [ACD/IUPAC Name]
N-(2-Méthyl-5-{[3-(4-méthyl-1H-imidazol-1-yl)-5-(trifluorométhyl)benzoyl]amino}phényl)-7H-pyrrolo[2,3-d]pyrimidine-7-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 134.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 96.30
ACD/KOC (pH 5.5): 730.38
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 52.14
ACD/KOC (pH 7.4): 395.46
Polar Surface Area: 107 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 359.9±7.0 cm3

Click to predict properties on the Chemicalize site


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